tert-butyl 4-[1-(furan-2-ylmethyl)-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(furan-2-ylmethyl)-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-furylmethyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2-furanylmethyl)-6-phenyl-4-pyrazolo[3,4-b]pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(furan-2-ylmethyl)-6-phenylpyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-furfuryl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H29N5O4 MolecularWeight: 487.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O4/c1-27(2,3)36-26(34)31-13-11-30(12-14-31)25(33)21-16-23(19-8-5-4-6-9-19)29-24-22(21)17-28-32(24)18-20-10-7-15-35-20/h4-10,15-17H,11-14,18H2,1-3H3